[5-(hydroxymethyl)-5,6-bis(oxidanyl)-4-oxidanylidene-hexan-2-yl] butanoate

Systemtic Name: [5-(hydroxymethyl)-5,6-bis(oxidanyl)-4-oxidanylidene-hexan-2-yl] butanoate Openeye Name: [4,5-dihydroxy-4-(hydroxymethyl)-1-methyl-3-oxo-pentyl] butanoate CAS Name: butanoic acid [5,6-dihydroxy-5-(hydroxymethyl)-4-oxohexan-2-yl] ester IUPAC Name: [5,6-dihydroxy-5-(hydroxymethyl)-4-oxohexan-2-yl] butanoate Traditional Name: butyric acid (4,5-dihydroxy-3-keto-1-methyl-4-methylol-pentyl) ester Formula: C11H20O6 MolecularWeight: 248.2729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC(C)CC(=O)C(CO)(CO)O

Isomeric SMILES

CCCC(=O)OC(C)CC(=O)C(CO)(CO)O

InChI

InChI=1S/C11H20O6/c1-3-4-10(15)17-8(2)5-9(14)11(16,6-12)7-13/h8,12-13,16H,3-7H2,1-2H3